1-methoxy-2-[(1-methoxypropan-2-yl)oxy]propane

• ChemBase ID: 156091
• Molecular Formular: C8H18O3
• Molecular Mass: 162.22672
• Monoisotopic Mass: 162.12559444
• SMILES: CC(COC)OC(C)COC
• Canonical SMILES: COCC(OC(COC)C)C
• InChI: InChI=1S/C8H18O3/c1-7(5-9-3)11-8(2)6-10-4/h7-8H,5-6H2,1-4H3
• InChIKey: FWZJTQPVXZIABW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-2-[(1-methoxypropan-2-yl)oxy]propane
• IUPAC Traditional name: 1-methoxy-2-[(1-methoxypropan-2-yl)oxy]propane
• Synonyms: Bis(methoxypropyl) ether; Dipropylene glycol dimethyl ether; 1-Methoxy-2-((1-methoxypropan-2-yl)oxy)propane; 双(甲氧基丙基)醚; 二丙二醇二甲醚

Database IDs

• CAS Number: 111109-77-4
• MDL Number: MFCD00210047
• Beilstein Number: 6774018
• PubChem SID: 162250229
• PubChem CID: 14029748

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8637485
• LogD (pH = 7.4): 0.8637485
• Log P: 0.8637485
• Molar Refractivity: 43.9371 cm^3
• Polarizability: 17.554483 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 149 °F; 65 °C
• Density: 0.903 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.408

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-24/25-26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95+%
• Grade: purum
• Linear Formula: CH3OC3H6OC3H6OCH3